| SpectraBase Spectrum ID |
2NpJZAlwTA |
| Name |
Bencyclane-M (oxo-) isomer-2 HYAC |
| Classification |
Vasodilator |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
260.141244501 u |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-13(17)19-16(10-6-5-9-15(18)12-16)11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3 |
| InChIKey |
KSVKZUBTPSXYEH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
260.333 g/mol |
| SMILES |
c1(ccccc1)CC1(CCCCC(=O)C1)OC(=O)C |
| SPLASH |
splash10-014i-1590000000-4c9bf112e36b7441d652 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2316 |
